ChemSpider 2D Image | O-[(S)-Hydroxy{(2S)-2-hydroxy-3-[(9E)-9-octadecenoyloxy]propoxy}phosphoryl]-L-serine | C24H46NO9P

O-[(S)-Hydroxy{(2S)-2-hydroxy-3-[(9E)-9-octadecenoyloxy]propoxy}phosphoryl]-L-serine

  • Molecular FormulaC24H46NO9P
  • Average mass523.597 Da
  • Monoisotopic mass523.291016 Da
  • ChemSpider ID59051609

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9-Octadecenoic acid, (2S)-3-[[(S)-[(2S)-2-amino-2-carboxyethoxy]hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, (9E)- [ACD/Index Name]
O-[(S)-Hydroxy{(2S)-2-hydroxy-3-[(9E)-9-octadecenoyloxy]propoxy}phosphoryl]-L-serin [German] [ACD/IUPAC Name]
O-[(S)-Hydroxy{(2S)-2-hydroxy-3-[(9E)-9-octadecenoyloxy]propoxy}phosphoryl]-L-serine [ACD/IUPAC Name]
O-[(S)-Hydroxy{(2S)-2-hydroxy-3-[(9E)-9-octadecenoyloxy]propoxy}phosphoryl]-L-sérine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 673.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±6.0 kJ/mol
Flash Point: 360.9±34.3 °C
Index of Refraction: 1.502
Molar Refractivity: 133.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 4
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 1.41
ACD/KOC (pH 5.5): 4.51
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 3.56
Polar Surface Area: 175 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 452.7±3.0 cm3

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